7,7-dioxo-1-propan-2-yl-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

C9H17N3O2S — CID 79497044

IUPAC7,7-dioxo-1-propan-2-yl-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC(C)N1C(N)=NCC12CCS(=O)(=O)C2
InChIInChI=1S/C9H17N3O2S/c1-7(2)12-8(10)11-5-9(12)3-4-15(13,14)6-9/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeySSMCFGFSIDLGDG-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.42
Rot. Bonds1

About 7,7-dioxo-1-propan-2-yl-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

7,7-dioxo-1-propan-2-yl-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79497044) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 7,7-dioxo-1-propan-2-yl-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name7,7-dioxo-1-propan-2-yl-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79497044
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name7,7-dioxo-1-propan-2-yl-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC(C)N1C(N)=NCC12CCS(=O)(=O)C2
InChIInChI=1S/C9H17N3O2S/c1-7(2)12-8(10)11-5-9(12)3-4-15(13,14)6-9/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeySSMCFGFSIDLGDG-UHFFFAOYSA-N
XLogP-0.42
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,7-dioxo-1-propan-2-yl-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 7,7-dioxo-1-propan-2-yl-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79497044) is 7,7-dioxo-1-propan-2-yl-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 7,7-dioxo-1-propan-2-yl-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 7,7-dioxo-1-propan-2-yl-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is CC(C)N1C(N)=NCC12CCS(=O)(=O)C2.
What is the InChIKey of 7,7-dioxo-1-propan-2-yl-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is SSMCFGFSIDLGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-7(2)12-8(10)11-5-9(12)3-4-15(13,14)6-9/h7H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 7,7-dioxo-1-propan-2-yl-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
7,7-dioxo-1-propan-2-yl-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 231.32 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dioxo-1-propan-2-yl-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79497044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).